2,5-Dimethoxybenzaldehyde

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  • Identifiers

    CAS number
    93-02-7

    Molecular formula
    C9H10O3

    SMILES
    COC1=CC(=C(C=C1)OC)C=O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sweet 88.93%
    Vanilla 67.86%
    Spicy 62.5%
    Floral 59.41%
    Anisic 56.17%
    Herbal 50.36%
    Powdery 46.77%
    Woody 42.8%
    Green 41.8%
    Phenolic 41.51%

     

    Flavor
    Sweet 59.98%
    Woody 52.79%
    Vanilla 50.43%
    Bitter 39.79%
    Creamy 36.98%
    Floral 36.73%
    Powdery 36.54%
    Spice 34.67%
    Spicy 32.8%
    Caramel 32.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    5.3 (weak acid)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 116.74 ˚C est.

  • Synonyms

    • 2,5-Dimethoxybenzaldehyde
    • 93-02-7
    • Benzaldehyde, 2,5-dimethoxy-
    • W49S1PPL78
    • DTXSID5052620
    • NSC-6315
    • DTXCID9031193
    • RefChem:82908
    • 202-211-5
    • 2,5-Dimethoxy benzaldehyde
    • MFCD00003314
    • NSC 6315
    • 2,5-dimethoxy-benzaldehyde
    • EINECS 202-211-5
    • BRN 0509301
    • UNII-W49S1PPL78
    • AI3-19307
    • NSC6315
    • Berberine Impurity 11
    • 2,5-dimethoxybenzaldehye
    • 2.5-dimethoxybenzaldehyde
    • 2,5 -dimethoxybenzaldehyde
    • YSWG665
    • SCHEMBL172939
    • orb3023781
    • SCHEMBL1799316
    • CHEMBL3560070
    • SCHEMBL29392394
    • 2,5-Dimethoxybenzaldehyde, 99%
    • CHEBI:183284
    • BB_SC-06789
    • DIMETHOXYBENZALDEHYDE, 2,5-
    • Tox21_303938
    • BBL023745
    • SBB040207
    • STK301598
    • AKOS000118971
    • AC-8438
    • CS-W007635
    • FD22197
    • PS-6288
    • CAS-93-02-7
    • NCGC00357176-01
    • SY003540
    • DB-020095
    • D1111
    • NS00039516
    • ST45061323
    • 2-Hydroxy-5-methoxybenzaldehyde, methyl ether
    • F036357
    • Q4596796
    • F2190-0615
    • 2,5-Dimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%
    • InChI=1/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H
    • 93-02-7

  • Applications

    2,5-Dimethoxybenzaldehyde (CAS 93-02-7) is primarily used as an intermediate in the synthesis of specialty chemicals and as a fragrance component in cosmetics, perfumery, and household products. In the fragrance domain, it often serves as a building block for more complex aroma compounds or as an initial fragrance ingredient; it is also evaluated as a precursor for pharmaceutical and agrochemical intermediates and can participate in industrial coatings and inks as a synthetic intermediate. Additionally, it is used as a starting point in research and development for polymer and advanced material applications, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.02
    methanol 34.69
    isopropanol 14.18
    water 1.33
    ethyl acetate 121.91
    n-propanol 18.46
    acetone 97.69
    n-butanol 16.03
    acetonitrile 106.13
    DMF 127.48
    toluene 48.99
    isobutanol 13.48
    1,4-dioxane 210.99
    methyl acetate 124.29
    THF 222.03
    2-butanone 69.85
    n-pentanol 11.79
    sec-butanol 12.35
    n-hexane 3.12
    ethylene glycol 24.5
    NMP 206.99
    cyclohexane 9.44
    DMSO 141.07
    n-butyl acetate 48.92
    n-octanol 9.14
    chloroform 275.77
    n-propyl acetate 53.96
    acetic acid 109.83
    dichloromethane 328.6
    cyclohexanone 111.91
    propylene glycol 9.18
    isopropyl acetate 63.21
    DMAc 165.13
    2-ethoxyethanol 54.15
    isopentanol 18.22
    n-heptane 4.41
    ethyl formate 71.12
    1,2-dichloroethane 217.27
    n-hexanol 15.86
    2-methoxyethanol 105.46
    isobutyl acetate 34.12
    tetrachloromethane 51.37
    n-pentyl acetate 22.26
    transcutol 134.38
    n-heptanol 9.85
    ethylbenzene 28.9
    MIBK 38.39
    2-propoxyethanol 55.79
    tert-butanol 36.05
    MTBE 46.79
    2-butoxyethanol 30.8
    propionic acid 46.83
    o-xylene 38.12
    formic acid 69.66
    diethyl ether 57.58
    m-xylene 34.3
    p-xylene 35.0
    chlorobenzene 90.14
    dimethyl carbonate 84.28
    n-octane 1.93
    formamide 133.75
    cyclopentanone 160.47
    2-pentanone 51.27
    anisole 86.63
    cyclopentyl methyl ether 84.55
    gamma-butyrolactone 244.26
    1-methoxy-2-propanol 49.03
    pyridine 154.85
    3-pentanone 61.8
    furfural 262.45
    n-dodecane 1.94
    diethylene glycol 70.65
    diisopropyl ether 21.35
    tert-amyl alcohol 25.14
    acetylacetone 126.78
    n-hexadecane 2.29
    acetophenone 81.49
    methyl propionate 89.48
    isopentyl acetate 47.92
    trichloroethylene 414.32
    n-nonanol 9.95
    cyclohexanol 26.58
    benzyl alcohol 43.68
    2-ethylhexanol 16.09
    isooctanol 10.2
    dipropyl ether 31.44
    1,2-dichlorobenzene 102.01
    ethyl lactate 29.22
    propylene carbonate 123.79
    n-methylformamide 80.37
    2-pentanol 11.29
    n-pentane 3.06
    1-propoxy-2-propanol 32.86
    1-methoxy-2-propyl acetate 74.33
    2-(2-methoxypropoxy) propanol 47.06
    mesitylene 24.44
    ε-caprolactone 109.27
    p-cymene 21.08
    epichlorohydrin 315.42
    1,1,1-trichloroethane 194.67
    2-aminoethanol 23.69
    morpholine-4-carbaldehyde 200.36
    sulfolane 244.34
    2,2,4-trimethylpentane 3.53
    2-methyltetrahydrofuran 136.26
    n-hexyl acetate 30.94
    isooctane 2.59
    2-(2-butoxyethoxy)ethanol 50.27
    sec-butyl acetate 42.14
    tert-butyl acetate 77.65
    decalin 8.16
    glycerin 34.55
    diglyme 125.33
    acrylic acid 68.09
    isopropyl myristate 18.57
    n-butyric acid 53.31
    acetyl acetate 140.18
    di(2-ethylhexyl) phthalate 20.29
    ethyl propionate 64.89
    nitromethane 291.94
    1,2-diethoxyethane 52.71
    benzonitrile 64.87
    trioctyl phosphate 12.63
    1-bromopropane 53.99
    gamma-valerolactone 207.83
    n-decanol 8.12
    triethyl phosphate 45.99
    4-methyl-2-pentanol 10.98
    propionitrile 61.69
    vinylene carbonate 132.03
    1,1,2-trichlorotrifluoroethane 189.72
    DMS 75.81
    cumene 21.15
    2-octanol 6.47
    2-hexanone 37.67
    octyl acetate 19.62
    limonene 26.69
    1,2-dimethoxyethane 126.76
    ethyl orthosilicate 40.25
    tributyl phosphate 18.88
    diacetone alcohol 58.75
    N,N-dimethylaniline 53.43
    acrylonitrile 99.0
    aniline 62.29
    1,3-propanediol 34.81
    bromobenzene 100.66
    dibromomethane 162.13
    1,1,2,2-tetrachloroethane 251.36
    2-methyl-cyclohexyl acetate 50.71
    tetrabutyl urea 24.08
    diisobutyl methanol 14.12
    2-phenylethanol 42.61
    styrene 38.01
    dioctyl adipate 31.81
    dimethyl sulfate 145.7
    ethyl butyrate 56.57
    methyl lactate 45.52
    butyl lactate 17.5
    diethyl carbonate 55.7
    propanediol butyl ether 18.38
    triethyl orthoformate 43.79
    p-tert-butyltoluene 20.95
    methyl 4-tert-butylbenzoate 53.54
    morpholine 163.52
    tert-butylamine 21.53
    n-dodecanol 6.95
    dimethoxymethane 123.6
    ethylene carbonate 104.73
    cyrene 68.74
    2-ethoxyethyl acetate 47.12
    2-ethylhexyl acetate 40.7
    1,2,4-trichlorobenzene 125.61
    4-methylpyridine 107.87
    dibutyl ether 18.72
    2,6-dimethyl-4-heptanol 14.12
    DEF 84.45
    dimethyl isosorbide 119.34
    tetrachloroethylene 182.83
    eugenol 46.76
    triacetin 57.36
    span 80 27.41
    1,4-butanediol 11.42
    1,1-dichloroethane 130.04
    2-methyl-1-pentanol 15.07
    methyl formate 90.43
    2-methyl-1-butanol 15.37
    n-decane 2.74
    butyronitrile 40.63
    3,7-dimethyl-1-octanol 13.44
    1-chlorooctane 11.0
    1-chlorotetradecane 6.25
    n-nonane 2.38
    undecane 2.25
    tert-butylcyclohexane 6.5
    cyclooctane 4.04
    cyclopentanol 34.18
    tetrahydropyran 103.6
    tert-amyl methyl ether 40.78
    2,5,8-trioxanonane 95.26
    1-hexene 10.33
    2-isopropoxyethanol 35.61
    2,2,2-trifluoroethanol 88.74
    methyl butyrate 65.46

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction